Commit message (Collapse) | Author | Age | Files | Lines | |
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* | sci-chemistry/votca-xtp: fix deps | Christoph Junghans | 2018-09-28 | 1 | -2/+2 |
| | | | | Package-Manager: Portage-2.3.49, Repoman-2.3.10 | ||||
* | sci-chemistry/votca-ctp: fixed deps | Christoph Junghans | 2018-09-28 | 1 | -8/+3 |
| | | | | Package-Manager: Portage-2.3.49, Repoman-2.3.10 | ||||
* | sci-chemistry/votca-csgapps: fix deps | Christoph Junghans | 2018-09-28 | 1 | -2/+4 |
| | | | | Package-Manager: Portage-2.3.49, Repoman-2.3.10 | ||||
* | sci-chemistry/votca-csg: fix deps | Christoph Junghans | 2018-09-28 | 3 | -10/+11 |
| | | | | Package-Manager: Portage-2.3.49, Repoman-2.3.10 | ||||
* | sci-chemistry/votca-ctp: votca-moo is now part of votca-ctp | Christoph Junghans | 2018-09-27 | 1 | -4/+3 |
| | | | | Package-Manager: Portage-2.3.49, Repoman-2.3.10 | ||||
* | sci-chemistry/votca-xtp: fix deps | Christoph Junghans | 2018-09-27 | 2 | -6/+6 |
| | | | | Package-Manager: Portage-2.3.49, Repoman-2.3.10 | ||||
* | sci-chemistry/votca-xtp: votca-moo is now part of votca-ctp | Christoph Junghans | 2018-09-27 | 1 | -5/+4 |
| | | | | Package-Manager: Portage-2.3.49, Repoman-2.3.10 | ||||
* | sci-chemistry/ParmEd: Version bump | Alexey Shvetsov | 2018-09-04 | 2 | -0/+42 |
| | | | | Package-Manager: Portage-2.3.47, Repoman-2.3.10 | ||||
* | sci-chemistry/GromacsWrapper: Version bump | Alexey Shvetsov | 2018-09-04 | 4 | -87/+8 |
| | | | | Package-Manager: Portage-2.3.47, Repoman-2.3.10 | ||||
* | sci-chemistry/xds-bin: Remove support for non-existent deps | Michał Górny | 2018-08-26 | 1 | -5/+2 |
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* | sci-chemistry/gromacs: Version bump | Alexey Shvetsov | 2018-08-23 | 2 | -0/+273 |
| | | | | Package-Manager: Portage-2.3.47, Repoman-2.3.10 | ||||
* | sci-chemistry/nmrdepaker: Introduce nmrdepaker software | Pacho Ramos | 2018-07-20 | 3 | -0/+41 |
| | | | | Package-Manager: Portage-2.3.43, Repoman-2.3.10 | ||||
* | sci-chemistry/mdtraj: Fix newline | Alexey Shvetsov | 2018-06-29 | 1 | -1/+1 |
| | | | | Package-Manager: Portage-2.3.40, Repoman-2.3.9 | ||||
* | sci-chemistry/mdtraj: Initial import | Alexey Shvetsov | 2018-06-29 | 3 | -0/+43 |
| | | | | Package-Manager: Portage-2.3.41, Repoman-2.3.9 | ||||
* | profiles/updates: sci-chemistry/mdanalysis is now sci-chemistry/MDAnalysis | Alexey Shvetsov | 2018-06-28 | 3 | -43/+0 |
| | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
* | sci-chemistry/MDAnalysis: Version bump | Alexey Shvetsov | 2018-06-28 | 3 | -0/+41 |
| | | | | Package-Manager: Portage-2.3.40, Repoman-2.3.9 | ||||
* | sci-chemistry/gromacs: fix cmake options | Christoph Junghans | 2018-06-25 | 2 | -3/+1 |
| | | | | | Closes: https://bugs.gentoo.org/659154 Package-Manager: Portage-2.3.40, Repoman-2.3.9 | ||||
* | sci-chemistry/vmd: Update metadata | Alexey Shvetsov | 2018-06-20 | 1 | -1/+1 |
| | | | | | Closes: https://bugs.gentoo.org/653520 Package-Manager: Portage-2.3.40, Repoman-2.3.9 | ||||
* | sci-chemistry/gromacs: Version bump | Alexey Shvetsov | 2018-06-14 | 2 | -0/+274 |
| | | | | Package-Manager: Portage-2.3.40, Repoman-2.3.9 | ||||
* | sci-chemistry/modeller: use HTTPs | Michael Mair-Keimberger | 2018-06-11 | 1 | -2/+2 |
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* | sci-chemistry/xdsstat-bin: use HTTPs | Michael Mair-Keimberger | 2018-06-11 | 1 | -2/+2 |
| | | | | Closes: https://github.com/gentoo/gentoo/pull/8776 | ||||
* | sci-chemistry/modeller: Import from science overlay | Alexey Shvetsov | 2018-06-08 | 3 | -0/+154 |
| | | | | Package-Manager: Portage-2.3.40, Repoman-2.3.9 | ||||
* | sci-chemistry/gromacs: Bump =) | Alexey Shvetsov | 2018-06-06 | 7 | -1384/+2 |
| | | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6 | ||||
* | sci-chemistry/molsketch: Drop old | Andreas Sturmlechner | 2018-06-06 | 4 | -95/+0 |
| | | | | Package-Manager: Portage-2.3.40, Repoman-2.3.9 | ||||
* | sci-chemistry/cyana: remove last rited package | Mikle Kolyada | 2018-06-02 | 7 | -201/+0 |
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* | sci-chemistry/*: Update dependencies (x11-proto/* -> x11-base/xorg-proto). | Arfrever Frehtes Taifersar Arahesis | 2018-05-21 | 2 | -7/+5 |
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* | sci-chemistry/mdanalysis: use HTTPS | Michael Mair-Keimberger | 2018-05-16 | 1 | -2/+2 |
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* | sci-chemistry/avogadro: remove last rited package | Mikle Kolyada | 2018-05-08 | 9 | -250/+0 |
| | | | | | | Closes: https://bugs.gentoo.org/645030 Closes: https://bugs.gentoo.org/447532 Closes: https://bugs.gentoo.org/649500 | ||||
* | sci-chemistry/openbabel: allow gcc-8, bug #654800 | Sergei Trofimovich | 2018-05-06 | 2 | -1/+17 |
| | | | | | | | | | | | openbabel explicitly whitelists list of major GCC versions. The change by Milan allow gcc-8. Newer upstream versions fixed the code to handle in in a more generic way: https://github.com/openbabel/openbabel/commit/00120f89cf62b121c30d0b2a891b159e19b53624 Fixed-by: milan hodoscek Closes: https://bugs.gentoo.org/654800 Package-Manager: Portage-2.3.36, Repoman-2.3.9 | ||||
* | sci-chemistry/chemex: Introduce chemex | Pacho Ramos | 2018-05-02 | 3 | -0/+40 |
| | | | | Package-Manager: Portage-2.3.31, Repoman-2.3.9 | ||||
* | sci-chemistry/ball: Drop old Qt4-based | Andreas Sturmlechner | 2018-04-21 | 13 | -426/+0 |
| | | | | | Closes: https://bugs.gentoo.org/639000 Package-Manager: Portage-2.3.31, Repoman-2.3.9 | ||||
* | sci-chemistry/ball: Add 1.5.0_pre20180419 Qt5-based snapshot | Andreas Sturmlechner | 2018-04-21 | 4 | -10/+472 |
| | | | | | Bug: https://bugs.gentoo.org/639000 Package-Manager: Portage-2.3.31, Repoman-2.3.9 | ||||
* | sci-chemistry/mpqc: Remove old | David Seifert | 2018-04-17 | 3 | -300/+0 |
| | | | | Package-Manager: Portage-2.3.29, Repoman-2.3.9 | ||||
* | sci-chemistry/ghemical: Drop stable keywords | David Seifert | 2018-04-17 | 1 | -5/+5 |
| | | | | Package-Manager: Portage-2.3.29, Repoman-2.3.9 | ||||
* | sci-chemistry/elem: Port to EAPI 6 | David Seifert | 2018-04-17 | 4 | -44/+92 |
| | | | | Package-Manager: Portage-2.3.29, Repoman-2.3.9 | ||||
* | sci-chemistry/prekin: Port to EAPI 6 | David Seifert | 2018-04-17 | 1 | -21/+17 |
| | | | | Package-Manager: Portage-2.3.29, Repoman-2.3.9 | ||||
* | sci-chemistry/avogadro2: Fix build with Qt 5.11_beta3 | Andreas Sturmlechner | 2018-04-17 | 2 | -0/+36 |
| | | | | Package-Manager: Portage-2.3.29, Repoman-2.3.9 | ||||
* | sci-chemistry/molequeue: 0.9.0 version bump, build with Qt-5.11_beta3 | Andreas Sturmlechner | 2018-04-17 | 3 | -0/+217 |
| | | | | Package-Manager: Portage-2.3.29, Repoman-2.3.9 | ||||
* | sci-chemistry/avogadro2: Drop 0.9.0, fails to build | Andreas Sturmlechner | 2018-04-08 | 2 | -52/+0 |
| | | | | | Bug: https://bugs.gentoo.org/649864 Package-Manager: Portage-2.3.28, Repoman-2.3.9 | ||||
* | sci-chemistry/avogadro2: Add 1.90.0_p20180211 snapshot | Andreas Sturmlechner | 2018-04-08 | 2 | -0/+60 |
| | | | | | Closes: https://bugs.gentoo.org/649864 Package-Manager: Portage-2.3.28, Repoman-2.3.9 | ||||
* | sci-chemistry/massxpert: Remove last-rited package | Andreas Sturmlechner | 2018-04-03 | 4 | -155/+0 |
| | | | | Closes: https://bugs.gentoo.org/645436 | ||||
* | sci-chemistry/gsim: Remove last-rited package | Andreas Sturmlechner | 2018-04-03 | 5 | -209/+0 |
| | | | | | Closes: https://bugs.gentoo.org/514438 Closes: https://bugs.gentoo.org/644522 | ||||
* | sci-chemistry/PyMca: Remove last-rited package | Andreas Sturmlechner | 2018-04-03 | 4 | -79/+0 |
| | | | | | Closes: https://bugs.gentoo.org/649094 Closes: https://bugs.gentoo.org/645218 | ||||
* | sci-chemistry/pymol: Version bump | Alexey Shvetsov | 2018-03-29 | 2 | -0/+114 |
| | | | | Package-Manager: Portage-2.3.24, Repoman-2.3.6 | ||||
* | Remove masked for removal packages | Pacho Ramos | 2018-03-11 | 3 | -81/+0 |
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* | sci-chemistry/bkchem: Fix dep on dev-python/pycairo | Michał Górny | 2018-03-03 | 1 | -2/+2 |
| | | | | | Fix the dependency on dev-python/pycairo not to reference the obsolete 'svg' flag. | ||||
* | sci-chemistry/gromacs: add new version | Alexey Shvetsov | 2018-02-18 | 2 | -0/+278 |
| | | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6 | ||||
* | profiles: Remove last-rited packages | Andreas Sturmlechner | 2018-02-12 | 3 | -58/+0 |
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* | sci-chemistry/gromacs: version bump | Christoph Junghans | 2018-01-19 | 2 | -0/+274 |
| | | | | Package-Manager: Portage-2.3.13, Repoman-2.3.3 | ||||
* | sci-chemistry/avogadro: Drop old | Andreas Sturmlechner | 2018-01-19 | 5 | -169/+0 |
| | | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6 |